5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione

C8H14N2O2S — CID 87234072

IUPAC5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCN1C(=O)NC(C)(CS)C1=O
InChIInChI=1S/C8H14N2O2S/c1-3-4-10-6(11)8(2,5-13)9-7(10)12/h13H,3-5H2,1-2H3,(H,9,12)
InChIKeyCVRCPXPAIRMNKV-UHFFFAOYSA-N
MW202.28 g/mol
LogP0.64
Rot. Bonds3

About 5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione

5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (PubChem CID 87234072) has the molecular formula C8H14N2O2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
PubChem CID87234072
Molecular FormulaC8H14N2O2S
Molecular Weight202.28 g/mol
Exact Mass202.08
IUPAC Name5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione
SMILESCCCN1C(=O)NC(C)(CS)C1=O
InChIInChI=1S/C8H14N2O2S/c1-3-4-10-6(11)8(2,5-13)9-7(10)12/h13H,3-5H2,1-2H3,(H,9,12)
InChIKeyCVRCPXPAIRMNKV-UHFFFAOYSA-N
XLogP0.64
TPSA49.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-3-(2-methylpropyl)-5-(sulfanylmethyl)imidazolidine-2,4-dione
CID 87234369
5,5-diethyl-3-propylimidazolidine-2,4-dione
CID 78907676
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanal
CID 63039438
3-(2-azidoethyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 61396577
3-(3,3-diethoxypropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 63629297
5-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)pentanenitrile
CID 60673570
3-ethyl-5-(methoxymethyl)-5-methylimidazolidine-2,4-dione
CID 127013226
3-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)propanehydrazide
CID 63577196
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetaldehyde
CID 62022872
3-(2-aminopropyl)-5-ethyl-5-methylimidazolidine-2,4-dione
CID 18070377
5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 24523455
3-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]propylurea
CID 99122564

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione (CID 87234072) is 5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is CCCN1C(=O)NC(C)(CS)C1=O.
What is the InChIKey of 5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
The InChIKey is CVRCPXPAIRMNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2S/c1-3-4-10-6(11)8(2,5-13)9-7(10)12/h13H,3-5H2,1-2H3,(H,9,12).
What are the key properties of 5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione?
5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione has a molecular weight of 202.28 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-propyl-5-(sulfanylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 87234072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).